CID 20621743

Vch3odfp

Structural Information

Molecular Formula
C17H22F2O
SMILES
CCCOC1=C(C(=C(C=C1)C2CCC(CC2)C=C)F)F
InChI
InChI=1S/C17H22F2O/c1-3-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(4-2)6-8-13/h4,9-10,12-13H,2-3,5-8,11H2,1H3
InChIKey
XQFXERFIVSSRRI-UHFFFAOYSA-N
Compound name
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

280.16388 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17116 165.2
[M+Na]+ 303.15310 171.6
[M-H]- 279.15660 168.6
[M+NH4]+ 298.19770 181.5
[M+K]+ 319.12704 166.7
[M+H-H2O]+ 263.16114 156.1
[M+HCOO]- 325.16208 182.5
[M+CH3COO]- 339.17773 203.3
[M+Na-2H]- 301.13855 164.6
[M]+ 280.16333 161.1
[M]- 280.16443 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe